The system for upload spectral data is offered. The aim of the system is making expert databases for spectral data. It is theoretically founded the data structures of the molecular tasks and method of implementation. The last is based on the XML and RDF technique. The system is realized for the tasks of molecular energy levels determinations.
The method of IR molecular spectra calculation is realized. The one is based on the model of the interacting vibration-rotational bands branches variation with additional effect of the spectral lines Doppler broadening. It was used for implementation of the application of the information system for calculation of the absorption coefficients of the pure gases and mixtures of the gases. The application allows to calculate also the spectral line wings for some spectral ranges of CO2 on the base of experimental line contours (Galtsev, Moskalenko, Boulet, Hartmann and so on)
The fourth node of the distributed system is implemented in Tomsk State University.